methyl 2-[4-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]acetate CAS Name: 2-[4-(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]acetic acid methyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H30N6O4/c1-4-5-6-7-8-25-15-16(22(2)19(28)21-17(15)27)20-18(25)24-11-9-23(10-12-24)13-14(26)29-3/h4-13H2,1-3H3,(H,21,27,28)